2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 4719-0068 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CCOc1cc(/C=C2/C(N=C(N3CCCCCC3)S2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.3939 |
| logD: | 3.3913 |
| logSw: | -3.328 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.685 |
| InChI Key: | IELMFUMWMDZDCH-UHFFFAOYSA-N |